2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C27H23ClN2O3 — CID 54552188

IUPAC2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC=Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H23ClN2O3/c1-32-23-13-7-20(8-14-23)25-18-26(31)30(17-3-4-19-5-11-22(28)12-6-19)29-27(25)21-9-15-24(33-2)16-10-21/h3-16,18H,17H2,1-2H3
InChIKeyZKRCUQZNYGDTTG-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.96
Rot. Bonds7

About 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 54552188) has the molecular formula C27H23ClN2O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID54552188
Molecular FormulaC27H23ClN2O3
Molecular Weight458.95 g/mol
Exact Mass458.14
IUPAC Name2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC=Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H23ClN2O3/c1-32-23-13-7-20(8-14-23)25-18-26(31)30(17-3-4-19-5-11-22(28)12-6-19)29-27(25)21-9-15-24(33-2)16-10-21/h3-16,18H,17H2,1-2H3
InChIKeyZKRCUQZNYGDTTG-UHFFFAOYSA-N
XLogP5.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 54552188) is 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(CC=Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is ZKRCUQZNYGDTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O3/c1-32-23-13-7-20(8-14-23)25-18-26(31)30(17-3-4-19-5-11-22(28)12-6-19)29-27(25)21-9-15-24(33-2)16-10-21/h3-16,18H,17H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 458.95 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 54552188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).